905598

Source:http://linkedlifedata.com/resource/chembl/compound/905598

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C23H14N4O5/c28-19-17(20(29)26(23(32)25-19)14-8-2-1-3-9-14)12-24-27-21(30)15-10-4-6-13-7-5-11-16(18(13)15)22(27)31/h1-12,24H,(H,25,28,32)/b17-12-
chemicalCompound:standardIn...	ODDDRHGWVCSEAH-ATVHPVEESA-N
chemicalCompound:canonicalS...	O=C1NC(=O)\C(=C\NN2C(=O)c3cccc4cccc(C2=O)c34)\C(=O)N1c5ccccc5
chemicalCompound:molecularF...	C23H14N4O5
chemicalCompound:moleculeId	905598
chemicalCompound:mwFreebase	426.381
chemicalCompound:alogp	1.628
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	115.88
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	6.581
chemicalCompound:acdLogP	1.721
chemicalCompound:acdLogD	0.868
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	426.381
chemicalCompound:chemblId	CHEMBL1481714
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1005598
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:3637522, activity:4291020, activity:4352049, activity:4356726, activity:5021770, activity:5836737, activity:6897346